SCHEMBL490529

SCHEMBL490529

CC(C)N(C)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
OPRD1 P41143 8/20 0.37
OPRM1 P35372 5/20 0.37
ALOX5 P09917 1/20 0.35
CYP2D6 P10635 4/20 0.32
KCNH2 Q12809 4/20 0.32
P2RX4 Q99571 1/20 0.32
SETD7 Q8WTS6 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA7 P36544 1/20 0.31
PDK2 Q15119 1/20 0.31
OPRK1 P41145 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL489982 0.86 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2PDK2
SCHEMBL31270719 0.86 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2PDK2
SCHEMBL29457700 0.86 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2PDK2
SCHEMBL13627440 0.84 PDK2 (0.42) OPRD1OPRM1ALOX5CYP2D6KCNH2
SCHEMBL3969303 0.83 ALOX5 (0.41) OPRD1OPRM1ALOX5SETD7CHRNA7
SCHEMBL490528 0.80 KMT2A (0.42) OPRD1OPRM1CYP2D6KCNH2KDM4E
SCHEMBL3970059 0.78 OPRD1 (0.40) OPRD1OPRM1CYP2D6KCNH2P2RX4
SCHEMBL3961609 0.78 ALDH1A1 (0.45) OPRD1CYP2D6KCNH2PDK2CNR1
SCHEMBL4669628 0.76 SETD7 (0.46) OPRD1OPRM1ALOX5CYP2D6KCNH2
SCHEMBL490202 0.76 OPRD1 (0.55) OPRD1OPRM1CYP2D6KCNH2OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PIK3CA 1266/4885OPRD1 1/4885OPRM1 4/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PIK3CA 1266/4885OPRD1 1/4885OPRM1 4/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PIK3CA 1266/4885OPRD1 1/4885OPRM1 4/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PIK3CA 1266/4885OPRD1 1/4885OPRM1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.